COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK171531
Chemical Name: 3-methyl-1-{4-[(2-nitrophenyl)sulfonyl]piperazin-1-yl}butan-1-one
Smiles: CC(CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-])C

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Molecular Weight: 355.41
Empirical Formula: C15H21N3O5S

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 2.33
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 111
Number of rings: 2

     

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